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1443325-06-1 | 3-n-Butoxy-4,5-difluorobenzoyl chloride
CAS No: 1443325-06-1 Catalog No: AG01FCDX MDL No:
Product Description
Catalog Number:
AG01FCDX
Chemical Name:
3-n-Butoxy-4,5-difluorobenzoyl chloride
CAS Number:
1443325-06-1
Molecular Formula:
C11H11ClF2O2
Molecular Weight:
248.6536
IUPAC Name:
3-butoxy-4,5-difluorobenzoyl chloride
InChI:
InChI=1S/C11H11ClF2O2/c1-2-3-4-16-9-6-7(11(12)15)5-8(13)10(9)14/h5-6H,2-4H2,1H3
InChI Key:
DKGOBWSXEWNZQW-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1F)F)C(=O)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.654g/mol
Monoisotopic Mass:
248.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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